U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C18H26NO2.I
Molecular Weight 415.309
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRANOLIUM IODIDE

SMILES

[I-].CC(C)[N+](C)(C)CC(O)COC1=C2C=CC=CC2=CC=C1

InChI

InChIKey=CGJSFWQIYXGCIF-UHFFFAOYSA-M
InChI=1S/C18H26NO2.HI/c1-14(2)19(3,4)12-16(20)13-21-18-11-7-9-15-8-5-6-10-17(15)18;/h5-11,14,16,20H,12-13H2,1-4H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula HI
Molecular Weight 127.9124
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H25NO2
Molecular Weight 287.3966
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:33:13 UTC 2023
Edited
by admin
on Sat Dec 16 08:33:13 UTC 2023
Record UNII
7T1U44E82R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PRANOLIUM IODIDE
Common Name English
UM-272
Code English
1-PROPANAMINIUM, 2-HYDROXY-N,N-DIMETHYL-N-(1-METHYLETHYL)-3-(1-NAPHTHALENYLOXY)-, IODIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
38088
Created by admin on Sat Dec 16 08:33:13 UTC 2023 , Edited by admin on Sat Dec 16 08:33:13 UTC 2023
PRIMARY
FDA UNII
7T1U44E82R
Created by admin on Sat Dec 16 08:33:13 UTC 2023 , Edited by admin on Sat Dec 16 08:33:13 UTC 2023
PRIMARY
CAS
38726-81-7
Created by admin on Sat Dec 16 08:33:13 UTC 2023 , Edited by admin on Sat Dec 16 08:33:13 UTC 2023
PRIMARY
EPA CompTox
DTXSID30959537
Created by admin on Sat Dec 16 08:33:13 UTC 2023 , Edited by admin on Sat Dec 16 08:33:13 UTC 2023
PRIMARY
CAS
54336-01-5
Created by admin on Sat Dec 16 08:33:13 UTC 2023 , Edited by admin on Sat Dec 16 08:33:13 UTC 2023
SUPERSEDED
Related Record Type Details
ACTIVE MOIETY